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2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid

2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid

Systemtic Name:2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid
Openeye Name:2-(4-methylsulfonyl-2-nitro-phenyl)sulfanylpropanoic acid
CAS Name:2-[(4-methylsulfonyl-2-nitrophenyl)thio]propanoic acid
IUPAC Name:2-(4-methylsulfonyl-2-nitrophenyl)sulfanylpropanoic acid
Traditional Name:2-[(4-mesyl-2-nitro-phenyl)thio]propionic acid
Formula: C10H11NO6S2
MolecularWeight: 305.32744
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]


Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)C)[N+](=O)[O-]


InChI

InChI=1S/C10H11NO6S2/c1-6(10(12)13)18-9-4-3-7(19(2,16)17)5-8(9)11(14)15/h3-6H,1-2H3,(H,12,13)


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